Information card for entry 7056730

Structure parameters

• Formula: C72 H78 N12 O6 Pt2 S4
• Calculated formula: C72 H78 N12 O6 Pt2 S4
• Title of publication: Rare, Hypodentate L-κS Coordination Mode of N,N-dialkyl-N’-aroylthioureas leads to Unprecedented Mixed-ligand [Pt(phen)(L-κS)2] Complexes..
• Authors of publication: Koch, Klaus R.; Kotze, Izak; smith, vincent; Kangara, Edmore F.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2017
• a: 13.203 ± 0.006 Å
• b: 14.849 ± 0.007 Å
• c: 19.502 ± 0.009 Å
• α: 102.474 ± 0.005°
• β: 108.801 ± 0.005°
• γ: 94.644 ± 0.005°
• Cell volume: 3487 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No